Computer-aided optimization of substance libraries

US6862533B2 · kind B2 · utility

Assignee

• HTE GMBH THE HIGH THROUGHPUT EXPERIMENTATION COMPANY · DE

Inventors

• Wolfgang Strehlau · Großkrotzenburg, DE
• John M. Newsam · Village of La Jolla, US
• Dirk Demuth · Schallstadt, DE
• Wolfram Stichert · Heidelberg, DE
• Armin Brenner · Spiesheim, DE
• Stephan Schunk · Heidelberg, DE
• Jens Klein · Grünwald, DE

Key dates

• Filing date: Jun 8, 2001
• Grant date: Mar 1, 2005
• Expiry date: Nov 13, 2022

Classification

• Technology area (CPC G): Physics
• CPC primary: G16B15/00
• WIPO field: Organic fine chemistry
• WIPO sector: Chemistry

Abstract

The invention relates to a method for the automated production and iterative automated optimization of a substance library and/or at least one reaction parameter relating to a performance characteristic comprising at least two substances comprising the steps of: a) defining at least one production parameter and at least one test parameter; b) automated preparation of a substance library by producing at least two substances on the basis of the at least one production parameter; c) automated testing of the at least two substances of the substance library with respect to at least one performance characteristic on the basis of the at least one test parameter; d) evaluating the test using electronic data analysis; e) varying the at least one production parameter and/or the at least one test parameter for optimizing the performance characteristics, and single or repeated repetition of steps b) to e) or c) to e); characterized in that the steps b) to e) are carried out in an integrated automated process.